(Z)-N'-[6-[3-(4-imidazol-1-ylbutyl)imidazol-1-ium-1-yl]hexyl]-N,N'-dimethylethene-1,2-diamine

C20H35N6+ — CID 89229330

IUPAC(Z)-N'-[6-[3-(4-imidazol-1-ylbutyl)imidazol-1-ium-1-yl]hexyl]-N,N'-dimethylethene-1,2-diamine
SMILESCN/C=C\N(C)CCCCCC[n+]1ccn(CCCCn2ccnc2)c1
InChIInChI=1S/C20H35N6/c1-21-9-15-23(2)11-5-3-4-6-13-25-17-18-26(20-25)14-8-7-12-24-16-10-22-19-24/h9-10,15-21H,3-8,11-14H2,1-2H3/q+1/b15-9-
InChIKeyAZDZDAJWNOTQED-DHDCSXOGSA-N
MW359.54 g/mol
LogP2.64
Rot. Bonds14

About (Z)-N'-[6-[3-(4-imidazol-1-ylbutyl)imidazol-1-ium-1-yl]hexyl]-N,N'-dimethylethene-1,2-diamine

(Z)-N'-[6-[3-(4-imidazol-1-ylbutyl)imidazol-1-ium-1-yl]hexyl]-N,N'-dimethylethene-1,2-diamine (PubChem CID 89229330) has the molecular formula C20H35N6+ and a molecular weight of 359.54 g/mol. Its IUPAC name is (Z)-N'-[6-[3-(4-imidazol-1-ylbutyl)imidazol-1-ium-1-yl]hexyl]-N,N'-dimethylethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N'-[6-[3-(4-imidazol-1-ylbutyl)imidazol-1-ium-1-yl]hexyl]-N,N'-dimethylethene-1,2-diamine
PubChem CID89229330
Molecular FormulaC20H35N6+
Molecular Weight359.54 g/mol
Exact Mass359.29
IUPAC Name(Z)-N'-[6-[3-(4-imidazol-1-ylbutyl)imidazol-1-ium-1-yl]hexyl]-N,N'-dimethylethene-1,2-diamine
SMILESCN/C=C\N(C)CCCCCC[n+]1ccn(CCCCn2ccnc2)c1
InChIInChI=1S/C20H35N6/c1-21-9-15-23(2)11-5-3-4-6-13-25-17-18-26(20-25)14-8-7-12-24-16-10-22-19-24/h9-10,15-21H,3-8,11-14H2,1-2H3/q+1/b15-9-
InChIKeyAZDZDAJWNOTQED-DHDCSXOGSA-N
XLogP2.64
TPSA41.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[[(Z)-2-[12-imidazol-1-yldodecyl(methyl)amino]ethenyl]amino]butanenitrile
CID 126583918
N-[[1-[6-[3-(4-imidazol-1-ylbutyl)imidazol-1-ium-1-yl]hexyl]quinolin-1-ium-2-yl]methylideneamino]-N-methylaniline dibromide
CID 173116777
1-pentyl-3-tridecylimidazol-1-ium
CID 87806959
1-tetradecyl-3-[6-(3-tetradecylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium
CID 102416106
1-icosyl-3-nonadecylimidazol-3-ium
CID 146315901
1-hexadecyl-3-tridecylimidazol-3-ium
CID 87897288
1-dodecyl-3-undecylimidazol-3-ium
CID 87811099
1-docosyl-3-octadecylimidazol-1-ium
CID 102417147
1-octadecyl-3-undecylimidazol-3-ium
CID 87896154
1,3-bis(6-methylheptyl)imidazol-1-ium
CID 87129414
1,3-dihexylimidazol-1-ium bromide
CID 13045373
1,3-dioctylimidazol-1-ium bromide
CID 141246153

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[6-[3-(4-imidazol-1-ylbutyl)imidazol-1-ium-1-yl]hexyl]-N,N'-dimethylethene-1,2-diamine?
The IUPAC name of (Z)-N'-[6-[3-(4-imidazol-1-ylbutyl)imidazol-1-ium-1-yl]hexyl]-N,N'-dimethylethene-1,2-diamine (CID 89229330) is (Z)-N'-[6-[3-(4-imidazol-1-ylbutyl)imidazol-1-ium-1-yl]hexyl]-N,N'-dimethylethene-1,2-diamine.
What is the SMILES notation for (Z)-N'-[6-[3-(4-imidazol-1-ylbutyl)imidazol-1-ium-1-yl]hexyl]-N,N'-dimethylethene-1,2-diamine?
The canonical SMILES for (Z)-N'-[6-[3-(4-imidazol-1-ylbutyl)imidazol-1-ium-1-yl]hexyl]-N,N'-dimethylethene-1,2-diamine is CN/C=C\N(C)CCCCCC[n+]1ccn(CCCCn2ccnc2)c1.
What is the InChIKey of (Z)-N'-[6-[3-(4-imidazol-1-ylbutyl)imidazol-1-ium-1-yl]hexyl]-N,N'-dimethylethene-1,2-diamine?
The InChIKey is AZDZDAJWNOTQED-DHDCSXOGSA-N. The full InChI is InChI=1S/C20H35N6/c1-21-9-15-23(2)11-5-3-4-6-13-25-17-18-26(20-25)14-8-7-12-24-16-10-22-19-24/h9-10,15-21H,3-8,11-14H2,1-2H3/q+1/b15-9-.
What are the key properties of (Z)-N'-[6-[3-(4-imidazol-1-ylbutyl)imidazol-1-ium-1-yl]hexyl]-N,N'-dimethylethene-1,2-diamine?
(Z)-N'-[6-[3-(4-imidazol-1-ylbutyl)imidazol-1-ium-1-yl]hexyl]-N,N'-dimethylethene-1,2-diamine has a molecular weight of 359.54 g/mol, XLogP of 2.64, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[6-[3-(4-imidazol-1-ylbutyl)imidazol-1-ium-1-yl]hexyl]-N,N'-dimethylethene-1,2-diamine is sourced from PubChem (CID 89229330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).